SCHEMBL5363575

SCHEMBL5363575

O=C(O)C=COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.59
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5363573 1.00 HCAR2 (0.59) HCAR2PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL5352171 0.98 HCAR2 (0.58) HCAR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL3463121 0.85 HCAR2 (0.47) HCAR2ALDH1A1LMNACYP2D6CYP2C19
SCHEMBL26228656 0.85 ALDH1A1 (0.53) HCAR2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5766428 0.85 ALDH1A1 (0.53) HCAR2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL5352165 0.85 ALDH1A1 (0.53) HCAR2PTGER1PTGER4PTGER3PTGER2
SCHEMBL10348825 0.83 HCAR2 (0.69) HCAR2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL10348824 0.83 HCAR2 (0.69) HCAR2ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL27488705 0.83 GPR52 (0.53) HCAR2ALDH1A1KDM4EPKMLMNA
SCHEMBL11009967 0.82 HCAR2 (0.49) HCAR2ALDH1A1LMNACA12AKR1B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674027-A 13The pyraoxystrobin and its synthetic method of C flag 河南衡谱分析检测技术有限公司 2018-02-09 CN claimed
CN-107629004-A 13The pyraoxystrobin and its synthetic method of C flag 贾明宏 2018-01-26 CN claimed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US claimed
CN-105960402-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2019-06-28 CN disclosed
CN-106103444-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2019-03-12 CN disclosed
CN-109068652-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2018-12-21 CN disclosed
CN-108368098-A Kill microorganism oxadiazole derivatives 先正达参股股份有限公司 2018-08-03 CN disclosed
US-20180196367-A1 TONER AND METHOD OF PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-07-12 US disclosed
CN-107922380-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2018-04-17 CN disclosed
CN-106103444-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-11-09 CN disclosed
CN-105960402-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-09-21 CN disclosed
CN-101163682-B Process for preparing azoxystrobin using DABCO as catalyst and novel intermediates used in the process SYNGENTA LTD 2012-09-05 CN disclosed
CN-101163682-A Process for preparing azoxystrobin using DABCO as catalyst and novel intermediates used in the process SYNGENTA LTD (GB) 2008-04-16 CN disclosed
US-7230119-B2 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 US disclosed
WO-2002081413-A2 ONE DIMENSIONAL UNICHEMO PROTECTION (UCP) IN ORGANIC SYNTHESIS CARLSBERG A/S (DK) 2002-10-17 WO disclosed
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis CARLSBERG A/S (DK) 2002-10-10 US disclosed
EP-0402246-B1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
CN-1008055-B PESTICIDE COMPOSITION WITH ACRYLIC DERIVS. AS ACTIVE COMPONENT AND PROCESS FOR PREPARING SAME, AND USE THEREOF ICI PLC (GB) 1990-05-23 CN disclosed
CN-85108235-A The preparation of sterilant 1986-08-27 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates PNISR, PNMT, GRHPR HCAR2 955/4885PTGER1 2152/4885PTGER4 691/4885
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis UMPS, UROD, URB2 HCAR2 1686/4885PTGER1 2187/4885PTGER4 2759/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.